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Journal of Molecular Graphics & Modelling|December 29, 2015
Inclusion complexation of pinostrobin with various cyclodextrin derivativesJintawee Kicuntod, Wasinee Khuntawee, Peter Wolschann, et al.Journal of Molecular Graphics & Modelling|January 18, 2016
Identification of estrogen receptor α ligands with virtual screening techniquesSanna P Niinivehmas, Elangovan Manivannan, Sanna Rauhamäki, et al.Journal of Molecular Graphics & Modelling|January 18, 2016
Theoretical investigation of fluorination effect on the charge carrier transport properties of fused anthra-tetrathiophene and its derivativesJun Yin, Kadali Chaitanya, Xue-Hai JuJournal of Molecular Graphics & Modelling|January 12, 2016
Recognition of halides and Y-shaped oxoanions by carbonylchromium-based urea-like molecules: A theoretical analysis of hydrogen bonding modesChao Wang, Yizhong Yuan, Xiaohui Tian, et al.Journal of Molecular Graphics & Modelling|January 15, 2016
Theoretical studies on binding modes of copper-based nucleases with DNAChunmei Liu, Yanyan Zhu, Mingsheng TangJournal of Molecular Graphics & Modelling|January 3, 2016
A systematic methodology for large scale compound screening: A case study on the discovery of novel S1PL inhibitorsUtku Deniz, Elif Ozkirimli, Kutlu O UlgenJournal of Molecular Graphics & Modelling|December 3, 2014
Effects of protein flexibility on the site of metabolism prediction for CYP2A6 substratesYayun Sheng, Yingjie Chen, Lei Wang, et al.Journal of Molecular Graphics & Modelling|December 3, 2014
Investigation of the rescue mechanism catalyzed by a nucleophile mutant of rice BGlu1Jinhu Wang, Rui Zhang, Rutao Liu, et al.Journal of Molecular Graphics & Modelling|December 3, 2014
Reaction mechanism and free energy profile for acylation of Candida Antarctica lipase B with methylcaprylate and acetylcholine: density functional theory calculationsMohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, Hassan SabzyanJournal of Molecular Graphics & Modelling|December 3, 2014
Evaluating membrane affinity by integrating protein orientationsFangqiang Zhu, Matthias ClaussPageof 400